Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis

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2 Citations (Scopus)

Abstract

Using the available crystallographic data in combination with DFT calculations we investigate the template effect of adamantane on the self-assembly of a tetrahedron-like complex made of four star-shaped building blocks. The QTAIM analysis reveals the presence of bond paths associated to stabilizing CH−π and H−H interactions. The terminal hydrogen atoms of adamantane do stabilize the electric dipole moments of the intermediate complexes which are likely to be formed along the self-assembly pathway that leads to the formation of the molecular tetrahedron.

Original languageEnglish
Pages (from-to)149-152
Number of pages4
JournalChemical Physics Letters
Volume713
DOIs
Publication statusPublished - 2018 Dec

Keywords

  • Molecular crystals
  • Nanostructures
  • Non-covalent interactions
  • Supramolecular chemistry

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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